{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6043353 4.9291445 4.3640168 ] [ -4.7849979 -3.6759869 4.8665159 ] [ -2.7787597 -7.0788256 -3.9151659 ] [ 6.2816975 -2.2700974 3.02184 ] [ 0.9771306 2.4244407 -3.4787766 ] [ 1.8372564 0.8711199 0.8038374 ] [ 2.5087384 3.6482354 -4.4168068 ] [ 0.56327 1.1519695 -1.2454608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.376958371984154e-09 7.897360078444904e-09 6.991925689738429e-09 ] [ -7.666411765957095e-09 -5.889580269547067e-09 7.79701799973147e-09 ] [ -4.452063826161223e-09 -1.134152887904053e-08 -6.272787271533391e-09 ] [ 1.006438887343781e-08 -3.637096981218866e-09 4.841521399798272e-09 ] [ 1.565535802788276e-09 3.884382208055987e-09 -5.573614537506113e-09 ] [ 2.943609250495173e-09 1.395687937693634e-09 1.287889489204658e-09 ] [ 4.019442012183199e-09 5.845117465054936e-09 -7.076504593550462e-09 ] [ 9.024580251980162e-10 1.845658600774666e-09 -1.995448175882865e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.712697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.44006352327143e-18 } }